CID 57421189

Sodium cyclobutanesulfinate

Structural Information

Molecular Formula
C4H8O2S
SMILES
C1CC(C1)S(=O)O
InChI
InChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)
InChIKey
WINLKCZFDQUZHI-UHFFFAOYSA-N
Compound name
cyclobutanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

120.0245 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.031776 116.8
[M+Na]+ 143.013718 121.8
[M-H]- 119.017224 118.9
[M+NH4]+ 138.058323 132.0
[M+K]+ 158.987658 124.1
[M+H-H2O]+ 103.021760 106.5
[M+HCOO]- 165.022701 132.1
[M+CH3COO]- 179.038351 168.2
[M+Na-2H]- 140.999166 119.4
[M]+ 120.02395142 124.6
[M]- 120.02504858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe